CID 6326972

Seleno-(dl)-cysteine

Structural Information

Molecular Formula
C3H6NO2Se
SMILES
C(C(C(=O)O)N)[Se]
InChI
InChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)
InChIKey
FDKWRPBBCBCIGA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

17423
Patents

167.95638 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.963656 132.6
[M+Na]+ 190.945598 138.6
[M-H]- 166.949104 130.8
[M+NH4]+ 185.990203 153.7
[M+K]+ 206.919538 138.5
[M+H-H2O]+ 150.953640 127.5
[M+HCOO]- 212.954581 153.8
[M+CH3COO]- 226.970231 169.6
[M+Na-2H]- 188.931046 135.4
[M]+ 167.95583142 130.2
[M]- 167.95692858 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe